Details of the Drug

General Information of Drug (ID: DM2CBTU)

Drug Name
SDZ-64-412
Synonyms
SDZ-64-412; PAF-AN-1; CHEMBL449395; 5-[4-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline; SDZ-64412; 115622-31-6; 5-{4-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl}-2,3-dihydroimidazo[2,1-a]isoquinoline; AC1L4M0I; SCHEMBL9118339; GTPL1855; CTK6J7710; BDBM50041921; HY-U00040; CS-7323; L024111
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 440.5
Logarithm of the Partition Coefficient (xlogp) 5
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C28H28N2O3
IUPAC Name
5-[4-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline
Canonical SMILES
COC1=CC(=CC(=C1OC)OC)CCC2=CC=C(C=C2)C3=CC4=CC=CC=C4C5=NCCN35
InChI
InChI=1S/C28H28N2O3/c1-31-25-16-20(17-26(32-2)27(25)33-3)9-8-19-10-12-21(13-11-19)24-18-22-6-4-5-7-23(22)28-29-14-15-30(24)28/h4-7,10-13,16-18H,8-9,14-15H2,1-3H3
InChIKey
FKRBSORUVOGNEK-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
159547
TTD ID
D0BD3U

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Platelet-activating factor receptor (PTAFR) TTQL5VC PTAFR_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Platelet-activating factor receptor (PTAFR) DTT PTAFR 3.53E-02 0.33 2.12
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Structural modification of 5-aryl-2,3-dihydroimidazo[2,1-a]isoquinoline platelet activating factor receptor antagonists. J Med Chem. 1993 Oct 15;36(21):3098-102.